{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8299896 1.3439085 -1.3578521 ] [ -0.6737625 -0.052158 -0.6545093 ] [ -1.0560295 -0.5372495 -1.5889708 ] [ 0.0792645 1.8928187 1.8529186 ] [ 0.7127703 -1.0787497 0.9657251 ] [ 0.6807185 -1.2729597 -1.0346164 ] [ -0.9973753 0.2452719 -0.3540374 ] [ -0.5755755 -0.5408821 2.1713424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.931966553427144e-09 2.153178779194397e-09 -2.175518889124184e-09 ] [ -1.07948652547176e-09 -8.35663281876864e-11 -1.048639498556173e-09 ] [ -1.691945775775113e-09 -8.607685884364897e-10 -2.545811866893872e-09 ] [ 1.269957287594016e-10 3.032629868553049e-09 2.968702861165467e-09 ] [ 1.141983910660602e-09 -1.728347549035014e-09 1.547262177339742e-09 ] [ 1.090631266046045e-09 -2.039506270560582e-09 -1.657638207576261e-09 ] [ -1.597971387823386e-09 3.929689039191955e-10 -5.672304451688179e-10 ] [ -9.221736096052705e-10 -8.665886552292077e-10 3.478874029031762e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.755065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.728592921818435e-18 } }